propan-2-yl 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-16-8-10-18(11-9-16)23-20(25)13-29-14-21(26)24-19-7-5-6-17(12-19)22(27)28-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)